6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C14H21N5S2 — CID 103334706

IUPAC6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCCCS3)nc(NN)nc2s1
InChIInChI=1S/C14H21N5S2/c1-2-9-7-11-12(16-8-10-5-3-4-6-20-10)17-14(19-15)18-13(11)21-9/h7,10H,2-6,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyRBRDNWWTFYWUSE-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.24
Rot. Bonds5

About 6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334706) has the molecular formula C14H21N5S2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103334706
Molecular FormulaC14H21N5S2
Molecular Weight323.49 g/mol
Exact Mass323.12
IUPAC Name6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCCCS3)nc(NN)nc2s1
InChIInChI=1S/C14H21N5S2/c1-2-9-7-11-12(16-8-10-5-3-4-6-20-10)17-14(19-15)18-13(11)21-9/h7,10H,2-6,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyRBRDNWWTFYWUSE-UHFFFAOYSA-N
XLogP3.24
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 106026089
2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334708
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
6-ethyl-2-hydrazinyl-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103333481
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80926454
6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327900
6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333186
N-(2-ethoxy-2-methylpropyl)-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335867
N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334924
[6-ethyl-4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336021
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103334706) is 6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCC3CCCCS3)nc(NN)nc2s1.
What is the InChIKey of 6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RBRDNWWTFYWUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S2/c1-2-9-7-11-12(16-8-10-5-3-4-6-20-10)17-14(19-15)18-13(11)21-9/h7,10H,2-6,8,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 323.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).